(1-ethylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol

C19H22N2O4 — CID 2881926

IUPAC(1-ethylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol
SMILESCCn1c(C(O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C19H22N2O4/c1-5-21-14-9-7-6-8-13(14)20-19(21)17(22)12-10-15(23-2)18(25-4)16(11-12)24-3/h6-11,17,22H,5H2,1-4H3
InChIKeyQNLYCMLFRNRJME-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.16
Rot. Bonds6

About (1-ethylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol

(1-ethylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol (PubChem CID 2881926) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (1-ethylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name(1-ethylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol
PubChem CID2881926
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(1-ethylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol
SMILESCCn1c(C(O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C19H22N2O4/c1-5-21-14-9-7-6-8-13(14)20-19(21)17(22)12-10-15(23-2)18(25-4)16(11-12)24-3/h6-11,17,22H,5H2,1-4H3
InChIKeyQNLYCMLFRNRJME-UHFFFAOYSA-N
XLogP3.16
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-ethylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol?
The IUPAC name of (1-ethylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol (CID 2881926) is (1-ethylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol.
What is the SMILES notation for (1-ethylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol?
The canonical SMILES for (1-ethylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol is CCn1c(C(O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of (1-ethylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol?
The InChIKey is QNLYCMLFRNRJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-5-21-14-9-7-6-8-13(14)20-19(21)17(22)12-10-15(23-2)18(25-4)16(11-12)24-3/h6-11,17,22H,5H2,1-4H3.
What are the key properties of (1-ethylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol?
(1-ethylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol has a molecular weight of 342.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylbenzimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol is sourced from PubChem (CID 2881926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).